1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline

C35H22FN — CID 134951071

IUPAC1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline
SMILESFc1cc(/C=C/c2ccc3ccccc3c2)c(-c2nccc3ccc4ccccc4c23)c2ccccc12
InChIInChI=1S/C35H22FN/c36-32-22-28(16-14-23-13-15-24-7-1-2-9-27(24)21-23)34(31-12-6-5-11-30(31)32)35-33-26(19-20-37-35)18-17-25-8-3-4-10-29(25)33/h1-22H/b16-14+
InChIKeyLNVHLLIFWQTJON-JQIJEIRASA-N
MW475.57 g/mol
LogP9.67
Rot. Bonds3

About 1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline

1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline (PubChem CID 134951071) has the molecular formula C35H22FN and a molecular weight of 475.57 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline.

Molecular Properties

Compound Name1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline
PubChem CID134951071
Molecular FormulaC35H22FN
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline
SMILESFc1cc(/C=C/c2ccc3ccccc3c2)c(-c2nccc3ccc4ccccc4c23)c2ccccc12
InChIInChI=1S/C35H22FN/c36-32-22-28(16-14-23-13-15-24-7-1-2-9-27(24)21-23)34(31-12-6-5-11-30(31)32)35-33-26(19-20-37-35)18-17-25-8-3-4-10-29(25)33/h1-22H/b16-14+
InChIKeyLNVHLLIFWQTJON-JQIJEIRASA-N
XLogP9.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Benzo(F)Quinoline
CID 6796
Benzo(h)quinoline
CID 9191
3-Phenylisoquinoline
CID 609614
1-Phenylisoquinoline
CID 137882
1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium
CID 5758582
(Isoquinolinemethylene)indane 30a
CID 6539812
3-(Naphthalen-2-yl)pyridine
CID 11845485
4-[6-(4-Fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033735
3-(3-Benzylnaphthalen-2-yl)pyridine
CID 25130517
1-(2-(1-Benzylpiperidin-4-yl)ethyl)isoquinoline
CID 9996767
Naphtho[2,3-h]quinoline
CID 6774
Thebenidine
CID 9133

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline?
The IUPAC name of 1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline (CID 134951071) is 1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline.
What is the SMILES notation for 1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline?
The canonical SMILES for 1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline is Fc1cc(/C=C/c2ccc3ccccc3c2)c(-c2nccc3ccc4ccccc4c23)c2ccccc12.
What is the InChIKey of 1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline?
The InChIKey is LNVHLLIFWQTJON-JQIJEIRASA-N. The full InChI is InChI=1S/C35H22FN/c36-32-22-28(16-14-23-13-15-24-7-1-2-9-27(24)21-23)34(31-12-6-5-11-30(31)32)35-33-26(19-20-37-35)18-17-25-8-3-4-10-29(25)33/h1-22H/b16-14+.
What are the key properties of 1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline?
1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline has a molecular weight of 475.57 g/mol, XLogP of 9.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]benzo[h]isoquinoline is sourced from PubChem (CID 134951071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).